Information card for entry 4105794

Structure parameters

• Formula: Cr Cs H8 N2 O8
• Calculated formula: Cr Cs H8 N2 O8
• SMILES: [NH4+].[Cr]1234(OO1)(OO2)(OO3)OO4.[Cs+].[NH4+]
• Title of publication: M3-x(NH4)xCrO8 (M = Na, K, Rb, Cs): A New Family of Cr5±Based Magnetic Ferroelectrics
• Authors of publication: Raghabendra Samantaray; Ronald J. Clark; Eun S. Choi; Haidong Zhou; Naresh S. Dalal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3792 - 3795
• a: 7.0386 ± 0.0003 Å
• b: 7.0386 ± 0.0003 Å
• c: 8.1748 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 405 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0122
• Residual factor for significantly intense reflections: 0.0122
• Weighted residual factors for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections included in the refinement: 0.0308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No